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Chemical Space Python Packages

Python packages with the GitHub topic chemical-space. Sorted by relevance, with stars and monthly downloads.
DrrDom
crem

CReM: chemically reasonable mutations framework

4K 267 44
mcsorkun
chemplot

A python package for chemical space visualization.

1K 152 35
ale94mleon
moldrug

moldrug is a python package for drug-oriented optimization on the chemical space.

759 39 7
AspirinCode
qrci

Quantitative Ring Complexity Index

148 10 2
gmattedi
chemicalspace

Object-oriented Representation for Chemical Spaces

125 2 0
    • Data from PyPI, GitHub, ClickHouse, and BigQuery